1-(furan-2-ylmethyl)-4-[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazine

• ChemBase ID: 575169
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n12c(nc(cc1N1CCN(Cc3occc3)CC1)C(C)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2N1CCN(CC1)Cc1ccco1)C(C)C
• InChI: InChI=1S/C19H25N5O/c1-14(2)17-12-19(24-18(20-17)11-15(3)21-24)23-8-6-22(7-9-23)13-16-5-4-10-25-16/h4-5,10-12,14H,6-9,13H2,1-3H3
• InChIKey: UQKKYFGVBNTNQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-4-[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazine
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-4-{5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl}piperazine
• Synonyms: 7-[4-(2-furylmethyl)-1-piperazinyl]-5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2699972
• LogD (pH = 7.4): 2.7694085
• Log P: 2.9884093
• Molar Refractivity: 108.8935 cm^3
• Polarizability: 37.189743 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.86
• LOG S: -3.11
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 4